Te3AsAu
Alexandria ALEXAlex-ID: agm003717841 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5047_spg4
Te3As2 Te2Au As
2022-04-15 10:52:53.567241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003717841).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm003717841
data_agm003717841
_cell_length_a 5.85738
_cell_length_b 5.86068
_cell_length_c 8.86408
_cell_angle_alpha 89.94620
_cell_angle_beta 73.67594
_cell_angle_gamma 89.99351
_cell_volume 292.02159
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Te1 Te 0.60935 0.67806 0.50642 1.00000
Te2 Te 0.77314 0.42506 0.17389 1.00000
Te3 Te 0.07515 0.22528 0.53394 1.00000
Te4 Te 0.95029 0.72525 0.85169 1.00000
Te5 Te 0.41626 0.17787 0.87922 1.00000
Te6 Te 0.25296 0.92570 0.21101 1.00000
As1 As 0.37055 0.72695 0.92831 1.00000
As2 As 0.65486 0.22729 0.45736 1.00000
Au1 Au 0.91648 0.22220 0.87046 1.00000
Au2 Au 0.10924 0.72236 0.51491 1.00000
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